(2S)-1-[4-[(2S)-2-carboxypyrrolidine-1-carbonyl]-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid
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![(2S)-1-[4-[(2S)-2-carboxypyrrolidine-1-carbonyl]-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/eace4db02253448e93cd7ecd1956600d.png "(2S)-1-[4-[(2S)-2-carboxypyrrolidine-1-carbonyl]-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid")
(2S)-1-[4-[(2S)-2-carboxypyrrolidine-1-carbonyl]-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid
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CAS No:
34733-02-3
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Formula:
C18H16I4N2O6
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Chemical Name:
(2S)-1-[4-[(2S)-2-carboxypyrrolidine-1-carbonyl]-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid
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Synonyms:
BRN 0466481;Tetrajodterephthalsaure-bis-(2-carboxy-pyrrolidid) [German];1,1'-((2,3,5,6-Tetraiodo-1,4-phenylene)dicarbonyl)bis-L-proline;L-Proline, 1,1'-((2,3,5,6-tetraiodo-1,4-phenylene)dicarbonyl)bis-;Tetrajodterephthalsaure-bis-(2-carboxy-pyrrolidid);34733-02-3
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CAS No:
(2S)-1-[4-[(2S)-2-carboxypyrrolidine-1-carbonyl]-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid Basic Attributes
863.9 g/mol
863.7187 g/mol
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Intravenous | Rodent - mouse | 3 gm/kg | Details of toxic effects not reported other than lethal dose value-- | Helvetica Chimica Acta. (Verlag Helvetica Chimica Acta, Postfach, CH-4002 Basel, Switzerland) V.1- 1918- Volume(issue)/page/year: 54,2097,1971 |
Computed Properties
Molecular Weight:863.9
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:863.7187
Monoisotopic Mass:863.7187
Topological Polar Surface Area:115
Heavy Atom Count:30
Complexity:664
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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